methyl 2-[[(4S)-4-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(4S)-4-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(4S)-4-(3-bromo-5-chloro-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[(4S)-4-(3-bromo-5-chloro-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4S)-4-(3-bromo-5-chloro-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[(4S)-4-(3-bromo-5-chloro-4-hydroxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C20H17BrClN3O5 MolecularWeight: 494.72308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)Cl)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C(=C2)Br)O)Cl)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H17BrClN3O5/c1-9-15(18(27)24-14-6-4-3-5-11(14)19(28)30-2)16(25-20(29)23-9)10-7-12(21)17(26)13(22)8-10/h3-8,16,26H,1-2H3,(H,24,27)(H2,23,25,29)/t16-/m0/s1